svn commit: r482264 - in head/science: . libmsym

[Yuri Victorovich]

Author: yuri
Date: Tue Oct 16 22:58:17 2018
New Revision: 482264
URL: https://svnweb.freebsd.org/changeset/ports/482264

Log:
  New port: science/libmsym: Molecular point group symmetry library

Added:
  head/science/libmsym/
  head/science/libmsym/Makefile   (contents, props changed)
  head/science/libmsym/distinfo   (contents, props changed)
  head/science/libmsym/pkg-descr   (contents, props changed)
  head/science/libmsym/pkg-plist   (contents, props changed)
Modified:
  head/science/Makefile

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Tue Oct 16 22:45:28 2018	(r482263)
+++ head/science/Makefile	Tue Oct 16 22:58:17 2018	(r482264)
@@ -115,6 +115,7 @@
     SUBDIR += libint2
     SUBDIR += libkml
     SUBDIR += liblinear
+    SUBDIR += libmsym
     SUBDIR += liboglappth
     SUBDIR += libquantum
     SUBDIR += libssm

Added: head/science/libmsym/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libmsym/Makefile	Tue Oct 16 22:58:17 2018	(r482264)
@@ -0,0 +1,22 @@
+# $FreeBSD$
+
+PORTNAME=	libmsym
+DISTVERSIONPREFIX=	v
+DISTVERSION=	0.2.3
+DISTVERSIONSUFFIX=	-paper
+CATEGORIES=	science
+
+MAINTAINER=	yuri at FreeBSD.org
+COMMENT=	Molecular point group symmetry library
+
+LICENSE=	MIT
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+USES=		cmake:outsource
+USE_GITHUB=	yes
+GH_ACCOUNT=	mcodev31
+USE_LDCONFIG=	yes
+
+CMAKE_ARGS=	-DBUILD_SHARED_LIBS:BOOL=ON
+
+.include <bsd.port.mk>

Added: head/science/libmsym/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libmsym/distinfo	Tue Oct 16 22:58:17 2018	(r482264)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1539730261
+SHA256 (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 3741ebe163cf40696570d6b62e4834ca587d43dcac9de713994cc5e2960fb8fd
+SIZE (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 87410

Added: head/science/libmsym/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libmsym/pkg-descr	Tue Oct 16 22:58:17 2018	(r482264)
@@ -0,0 +1,13 @@
+libmsym is a C library dealing with point group symmetry in molecules.
+
+Features:
+* Determine, symmetrize and generate molecules of any point group as well
+  determine/select subgroups. Get symmetrically equivalent elements and
+  symmetrize translation of any any element in a molecule.
+* Generate character tables for any point group (complex characters form
+  reducible representations)
+* Generate SALCs of real spherical harmonics with any angular momentum for
+  point groups with real characters (Ci, Cs, Cnv, Dn, Dnh, Dnd, Td, O, Oh,
+  I and Ih), as well as symmetrize orbitals, determine partner functions etc.
+
+WWW: https://github.com/mcodev31/libmsym

Added: head/science/libmsym/pkg-plist
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libmsym/pkg-plist	Tue Oct 16 22:58:17 2018	(r482264)
@@ -0,0 +1,10 @@
+include/libmsym/msym.h
+include/libmsym/msym_EXPORTS.h
+include/libmsym/msym_error.h
+lib/cmake/libmsym/libmsymConfig.cmake
+lib/cmake/libmsym/libmsymConfigVersion.cmake
+lib/cmake/libmsym/libmsymTargets-%%CMAKE_BUILD_TYPE%%.cmake
+lib/cmake/libmsym/libmsymTargets.cmake
+lib/libmsym.so
+lib/libmsym.so.0.2
+lib/libmsym.so.0.2.4